Vitas-M small molecule compound
N-benzyl-2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK543979
SMILES O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H27N3O2S3 MW 521.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S3/c1-17-9-11-19(12-10-17)30-25(32)23-20-13-27(2,3)34-15-21(20)35-24(23)29-26(30)33-16-22(31)28-14-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3,(H,28,31)InChIKey
LRVQRYANBNSECO-UHFFFAOYSA-NSynonyms
500276-23-3500276233
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NCC4=CC=CC=C4)SC5=C3CC(SC5)(C)C
InChI=1SC27H27N3O2S3c11791119(121017)3025(32)23201327(23)341521(20)3524(23)2926(30)331622(31)2814187546818h412H1316H213H3(H2831)
MFCD03303258
Nbenzyl2((66dimethyl3(4methylphenyl)4oxo3568tetrahydro4Hthiopyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
Nbenzyl2((66dimethyl3(4methylphenyl)4oxo58dihydrothiopyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
Nbenzyl2((66dimethyl4oxo3(ptolyl)4568tetrahydro3Hthiopyrano(4345)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000001774982
ZINC01774982
ZINC1774982
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